tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate

C16H24N2O3 — CID 167312578

IUPACtert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate
SMILESC[C@@H](NC(=O)[C@H](N)CC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(12-8-6-5-7-9-12)18-15(20)13(17)10-14(19)21-16(2,3)4/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)/t11-,13-/m1/s1
InChIKeyCJSCOSSNIAKAEL-DGCLKSJQSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate

tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate (PubChem CID 167312578) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate
PubChem CID167312578
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate
SMILESC[C@@H](NC(=O)[C@H](N)CC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(12-8-6-5-7-9-12)18-15(20)13(17)10-14(19)21-16(2,3)4/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)/t11-,13-/m1/s1
InChIKeyCJSCOSSNIAKAEL-DGCLKSJQSA-N
XLogP1.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate with MolForge

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Related Compounds

tert-butyl (3S)-3-amino-4-anilino-4-oxobutanoate
CID 54337711
tert-butyl (3S)-3-(benzhydrylideneamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoate
CID 11328570
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
tert-butyl 3-amino-4-oxo-4-(2-phenylethylamino)butanoate
CID 14514034
tert-butyl N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 26791694
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid
CID 18323076
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamate
CID 59875757
tert-butyl (E)-2-methyl-3-(1-phenylethylamino)but-2-enoate
CID 134872785
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
CID 67006160
tert-butyl (3R,4S)-3-hydroxy-4-phenylpentanoate
CID 101129799

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate?
The IUPAC name of tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate (CID 167312578) is tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate.
What is the SMILES notation for tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate?
The canonical SMILES for tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate is C[C@@H](NC(=O)[C@H](N)CC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate?
The InChIKey is CJSCOSSNIAKAEL-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(12-8-6-5-7-9-12)18-15(20)13(17)10-14(19)21-16(2,3)4/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)/t11-,13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate?
tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate has a molecular weight of 292.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate is sourced from PubChem (CID 167312578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).